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{
"id": "jvasp-67664",
"created_at": "2022-09-04T14:35:58.626150Z",
"updated_at": "2022-09-04T14:35:58.626176Z",
"structure_string": "Be1 Ga1 Ag1\n1.0\n-1.382852 1.382852 5.688094\n1.382852 -1.382852 5.688094\n1.382852 1.382852 -5.688094\nBe Ga Ag\n1 1 1\ndirect\n0.332486 0.332486 0.000000 Be\n0.687990 0.687990 0.000000 Ga\n0.979523 0.979523 0.000000 Ag\n",
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{
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"structure_string": "Be1 Fe4 Si1\n1.0\n0.000000 3.260550 3.260550\n3.260550 -0.000000 3.260550\n3.260550 3.260550 0.000000\nBe Fe Si\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374746 0.374746 0.374746 Fe\n0.374746 0.875760 0.374746 Fe\n0.374746 0.374746 0.875760 Fe\n0.875760 0.374746 0.374746 Fe\n0.750000 0.750000 0.750000 Si\n",
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{
"id": "jvasp-64960",
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"structure_string": "Be1 Fe4 Re1\n1.0\n-0.000000 3.243160 3.243160\n3.243160 -0.000000 3.243160\n3.243160 3.243160 -0.000000\nBe Fe Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122379 0.625873 0.625873 Fe\n0.625873 0.625873 0.625873 Fe\n0.625873 0.122379 0.625873 Fe\n0.625873 0.625873 0.122379 Fe\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
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"elements": [
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"formula_full": "Be1 Fe4 Re1",
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{
"id": "jvasp-74280",
"created_at": "2022-09-04T14:35:56.752952Z",
"updated_at": "2022-09-04T14:35:56.752968Z",
"structure_string": "Be1 Fe4 Pb1\n1.0\n0.000000 3.441851 3.441851\n3.441851 0.000000 3.441851\n3.441851 3.441851 0.000000\nBe Fe Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.373417 0.373417 0.373417 Fe\n0.373417 0.879747 0.373417 Fe\n0.373417 0.373417 0.879747 Fe\n0.879747 0.373417 0.373417 Fe\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 6,
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],
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"density": 8.9514391821071,
"density_atomic": 0.0735775052221342,
"volume": 81.54666269107246,
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"formula_full": "Be1 Fe4 Pb1",
"formula_reduced": "BeFe4Pb",
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},
{
"id": "jvasp-74877",
"created_at": "2022-09-04T14:35:44.378903Z",
"updated_at": "2022-09-04T14:35:44.378928Z",
"structure_string": "Be1 Fe4 Mo1\n1.0\n0.000000 3.265458 3.265458\n3.265458 -0.000000 3.265458\n3.265458 3.265458 0.000000\nBe Fe Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374292 0.374292 0.374292 Fe\n0.374292 0.877124 0.374292 Fe\n0.374292 0.374292 0.877124 Fe\n0.877124 0.374292 0.374292 Fe\n0.750000 0.750000 0.750000 Mo\n",
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"elements": [
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"volume": 69.64056765776893,
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"formula_full": "Be1 Fe4 Mo1",
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"spacegroup": 216
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{
"id": "jvasp-65001",
"created_at": "2022-09-04T14:36:14.099185Z",
"updated_at": "2022-09-04T14:36:14.099208Z",
"structure_string": "Be1 Fe4 Ir1\n1.0\n-0.000000 3.289243 3.289243\n3.289243 0.000000 3.289243\n3.289243 3.289243 -0.000000\nBe Fe Ir\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374871 0.374871 0.374871 Fe\n0.374871 0.875386 0.374871 Fe\n0.374871 0.374871 0.875386 Fe\n0.875386 0.374871 0.374871 Fe\n0.749999 0.749999 0.749999 Ir\n",
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"formula_full": "Be1 Fe4 Ir1",
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{
"id": "jvasp-64918",
"created_at": "2022-09-04T14:36:03.865071Z",
"updated_at": "2022-09-04T14:36:03.865096Z",
"structure_string": "Be1 Fe4 Ge1\n1.0\n0.000000 3.307426 3.307426\n3.307426 -0.000000 3.307426\n3.307426 3.307426 0.000000\nBe Fe Ge\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374493 0.374493 0.374493 Fe\n0.374493 0.876525 0.374493 Fe\n0.374493 0.374493 0.876525 Fe\n0.876525 0.374493 0.374493 Fe\n0.750001 0.750001 0.750001 Ge\n",
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"volume": 72.3603075394454,
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"formula_full": "Be1 Fe4 Ge1",
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"spacegroup": 216
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{
"id": "jvasp-72375",
"created_at": "2022-09-04T14:36:18.877023Z",
"updated_at": "2022-09-04T14:36:18.877051Z",
"structure_string": "Be1 Fe2 Te1\n1.0\n3.907445 0.000000 0.000000\n0.000000 3.907445 -0.000000\n0.000000 0.000000 3.257596\nBe Fe Te\n1 2 1\ndirect\n0.000000 0.000000 0.500001 Be\n0.500001 0.000000 0.000000 Fe\n0.000000 0.500001 0.000000 Fe\n0.500001 0.500001 0.500001 Te\n",
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"formula_full": "Be1 Fe2 Te1",
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"spacegroup": 123
},
{
"id": "jvasp-71730",
"created_at": "2022-09-04T14:35:42.499499Z",
"updated_at": "2022-09-04T14:35:42.499528Z",
"structure_string": "Be1 Fe2 Te1\n1.0\n-1.839885 1.839885 3.899598\n1.839885 -1.839885 3.899598\n1.839885 1.839885 -3.899598\nBe Fe Te\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.749999 0.499999 Fe\n0.500000 0.500000 0.000000 Te\n",
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"formula_full": "Be1 Fe2 Te1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-70027",
"created_at": "2022-09-04T14:36:08.110828Z",
"updated_at": "2022-09-04T14:36:08.110862Z",
"structure_string": "Be1 Fe2 Si2\n1.0\n-1.669869 1.669869 5.501690\n1.669869 -1.669869 5.501690\n1.669869 1.669869 -5.501690\nBe Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.604669 0.604669 0.000000 Fe\n0.395331 0.395331 0.000000 Fe\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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},
{
"id": "jvasp-41953",
"created_at": "2022-09-04T14:37:47.589022Z",
"updated_at": "2022-09-04T14:37:47.589043Z",
"structure_string": "Be1 Fe2 Si1\n1.0\n-0.000000 2.698917 2.698917\n2.698917 -0.000000 2.698917\n2.698917 2.698917 -0.000000\nBe Fe Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.750001 0.750001 0.750001 Si\n",
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{
"id": "jvasp-71681",
"created_at": "2022-09-04T14:36:02.831728Z",
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"structure_string": "Be1 Fe2 Se1\n1.0\n-1.789971 1.789971 3.816631\n1.789971 -1.789971 3.816631\n1.789971 1.789971 -3.816631\nBe Fe Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Se\n",
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}
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}